Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L04HDW
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| Ligand Name |
N-{(3s)-1-[2-(Methylamino)pyrimidin-4-Yl]pyrrolidin-3-Yl}-N'-{4-[(Morpholin-4-Yl)methyl]-3-(Trifluoromethyl)phenyl}urea
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| Synonyms |
CHEMBL4532382; N-{(3s)-1-[2-(Methylamino)pyrimidin-4-Yl]pyrrolidin-3-Yl}-N'-{4-[(Morpholin-4-Yl)methyl]-3-(Trifluoromethyl)phenyl}urea; compound 20 (Bergeron et al., 2016); compound 20 [Bergeron et al., 2016]; GTPL9171; SCHEMBL16619896; BDBM50532616; Q27076402; 1-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea; 66X
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| Structure |
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Download2D MOL |
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| Formula |
C22H28F3N7O2
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| Canonical SMILES |
CNC1=NC=CC(=N1)N2CCC(C2)NC(=O)NC3=CC(=C(C=C3)CN4CCOCC4)C(F)(F)F
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| InChI |
1S/C22H28F3N7O2/c1-26-20-27-6-4-19(30-20)32-7-5-17(14-32)29-21(33)28-16-3-2-15(18(12-16)22(23,24)25)13-31-8-10-34-11-9-31/h2-4,6,12,17H,5,7-11,13-14H2,1H3,(H,26,27,30)(H2,28,29,33)/t17-/m0/s1
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| InChIKey |
LVIYMOOJJGCMCP-KRWDZBQOSA-N
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| PubChem Compound ID | ||||
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